5-(4-Chlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine CAS 338420-41-0
| CAS No. | 338420-41-0 |
| Molecular Formula | C15H8ClF3N6 |
| Molecular Weight | 364.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(4-Chlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine.
5-(4-Chlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine (CAS 338420-41-0) is a high-purity analytical reference standard with the molecular formula C15H8ClF3N6 and a molecular weight of 364.71 g/mol.
Based on its molecular formula C15H8ClF3N6, 5-(4-Chlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 364.71 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C15H8ClF3N6 |
| Molecular Weight | 364.71 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 6 |
Related Chlorophenyl Standards
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Recommended Standards
- 3-Acetyl-N'-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N'-methyl-4,5-dihydroisoxazole-5-carbohydrazide (CAS 338965-03-0)
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- 1023558-62-4 (((4-(3-Chloro-5-(trifluoromethyl)-2-pyridyloxy)phenyl)amino)methylene)methane-1,1-dicarbonitrile MFCD00245994 (CAS 1023558-62-4)
- [({[(2-chloro-3-phenylprop-2-enylidene)amino]oxy}carbonyl)amino](2,6-difluorophenyl)methanone (CAS 680580-31-8)
- 1-(Bicyclo[3.1.0]hexan-3-yl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine (CAS 1365170-02-0)
- 6-(Cyclopropylmethoxy)-2-fluoropyridin-3-ol (CAS 1881291-23-1)
- Ethyl 4-(3-bromo-4-methylphenyl)-4-oxobutanoate (CAS 898776-82-4)
- Metronidazole Impurity 28 (CAS 102274-41-9)
- (1S,5R,6S)-methyl 5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate (CAS 1234466-26-2)
- [6-(1h-pyrazol-1-yl)pyridin-3-yl]methanol (CAS 748796-38-5)
- 3-(4-Methylpyridin-3-yl)prop-2-yn-1-ol (CAS 1540602-83-2)
- BIX02188 (CAS 1094614-84-2)
- 2-Bromo-6-((isobutylamino)methyl)phenol (CAS 157729-13-0)
- Des-Ala18-Tirzepatide (CAS CATO-CPTD788955)
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